smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C=C1\C[N+](C)([O-])[C@H]2C[C@]3(c4ccccc4N(OC)C3=O)[C@H]3C[C@@H]1[C@@H]2CO3 ZINC000238753470 717162675 /nfs/dbraw/zinc/16/26/75/717162675.db2.gz UIBRWIGMJWWIGU-HCKKBQJNSA-N 0 0 370.449 2.530 1 5 FFBFRN COC(=O)[C@@H]1C[C@]23CCC[N+]4([O-])CC[C@]5(c6ccccc6N[C@@]15CC2)[C@@H]34 ZINC000238761344 717162697 /nfs/dbraw/zinc/16/26/97/717162697.db2.gz KWXHCCIXBUPHTG-OAYUBMCFSA-N 0 0 354.450 2.943 1 5 FFBFRN CCCCc1ccc(N2C(=O)c3cc([N+](=O)[O-])cnc3S2(=O)=O)cc1 ZINC000001654028 204015914 /nfs/dbraw/zinc/01/59/14/204015914.db2.gz AIIHCWUZVGZGLE-UHFFFAOYSA-N 0 0 361.379 2.682 1 5 FFBFRN O=[N+]([O-])c1ccc(C2=Nn3c(nnc3-c3ccccc3O)SC2)cc1 ZINC000003911153 204116028 /nfs/dbraw/zinc/11/60/28/204116028.db2.gz AWVSMXVJLVZEOS-UHFFFAOYSA-N 0 0 353.363 2.917 1 5 FFBFRN CC1=C(C(=O)O[C@@H]2C=CCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000036185144 205007416 /nfs/dbraw/zinc/00/74/16/205007416.db2.gz OXDXBKRZMVVTHP-GDBMZVCRSA-N 0 0 357.366 2.875 1 5 FFBFRN CN1C[C@H](OCc2ccc(OC(F)(F)F)cc2)Cn2nc([N+](=O)[O-])cc21 ZINC000040933399 205085302 /nfs/dbraw/zinc/08/53/02/205085302.db2.gz JWDQEQKAGFWDRM-LBPRGKRZSA-N 0 0 372.303 2.725 1 5 FFBFRN CCOC(=O)C1=C(CC)NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000049112557 205170775 /nfs/dbraw/zinc/17/07/75/205170775.db2.gz HZPOERGFFRQYFC-INIZCTEOSA-N 0 0 374.393 2.956 1 5 FFBFRN Cc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1C ZINC000053026328 205190232 /nfs/dbraw/zinc/19/02/32/205190232.db2.gz DVJYFYQACAKCOT-PEZBUJJGSA-N 0 0 369.468 2.890 1 5 FFBFRN CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@@H]1c1ccc([N+](=O)[O-])s1 ZINC000073169598 205567836 /nfs/dbraw/zinc/56/78/36/205567836.db2.gz XGWWBWLRJVNDET-CQSZACIVSA-N 0 0 362.323 2.804 1 5 FFBFRN CCOCCCCc1nc2ccc([N+](=O)[O-])cc2c(O)c1C(=O)OCC ZINC000169308230 206249370 /nfs/dbraw/zinc/24/93/70/206249370.db2.gz HIABJSBMLOUDKB-UHFFFAOYSA-N 0 0 362.382 2.972 1 5 FFBFRN C[C@H]1C(=O)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 ZINC000013828839 204554500 /nfs/dbraw/zinc/55/45/00/204554500.db2.gz HOWFCNMWQPJPBN-MEBBXXQBSA-N 0 0 364.354 2.642 1 5 FFBFRN CC(=O)Oc1cc(OC(C)=O)c2c(c1)oc1c(OC(C)=O)cccc1c2=O ZINC000014821924 204589619 /nfs/dbraw/zinc/58/96/19/204589619.db2.gz MLIXTGRWQUJPCV-UHFFFAOYSA-N 0 0 370.313 2.722 1 5 FFBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cccnc3)cc1)C2 ZINC000066264156 205365072 /nfs/dbraw/zinc/36/50/72/205365072.db2.gz FMVGVRFSKPMLGE-INIZCTEOSA-N 0 0 352.350 2.831 1 5 FFBFRN CCOC(=O)c1ccc2c(c1)nc(-c1ccc([N+](=O)[O-])cc1)n2CCO ZINC000103226354 205988324 /nfs/dbraw/zinc/98/83/24/205988324.db2.gz JDHHNMIWQLZHOL-UHFFFAOYSA-N 0 0 355.350 2.781 1 5 FFBFRN CC(=O)Oc1ccc2oc3cc(OC(C)=O)cc(OC(C)=O)c3c(=O)c2c1 ZINC000040875981 205083893 /nfs/dbraw/zinc/08/38/93/205083893.db2.gz NQOZHPHOLOTREJ-UHFFFAOYSA-N 0 0 370.313 2.722 1 5 FFBFRN CCNC(=O)c1ccc(NCc2cnc3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000098083399 205934648 /nfs/dbraw/zinc/93/46/48/205934648.db2.gz WLMUVIHQHNMWKZ-UHFFFAOYSA-N 0 0 351.366 2.900 1 5 FFBFRN C[N+](C)([O-])c1ccnc2sc3c(ncn(N4CCCCCC4)c3=O)c21 ZINC000013676185 717109164 /nfs/dbraw/zinc/10/91/64/717109164.db2.gz AKXCOQICNDOOTF-UHFFFAOYSA-N 0 0 359.455 2.583 1 5 FFBFRN COC(=O)[C@@H]1C[C@@]23C=CC[N+]4([O-])CC[C@]5(c6ccccc6N[C@]15[C@@H]2C)[C@@H]34 ZINC000085541632 291060662 /nfs/dbraw/zinc/06/06/62/291060662.db2.gz JOAAIYRFWUHKSF-XOJMXNCBSA-N 0 0 352.434 2.574 1 5 biogenic,in-vitro FFBFRN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(O)cc2)NC(=O)N1 ZINC000005523325 204213985 /nfs/dbraw/zinc/21/39/85/204213985.db2.gz BBQKJUNIQHROLK-INIZCTEOSA-N 0 0 368.349 2.567 1 5 FFBFRN COC(=O)[C@@]12CCCC=C1C[N+]1([O-])CCc3cc(OC)c(OC)cc3[C@@H]21 ZINC000085951070 717137436 /nfs/dbraw/zinc/13/74/36/717137436.db2.gz LXHLCKTUQQZKAL-WZENJKSDSA-N 0 0 359.422 2.899 1 5 FFBFRN O=[N+]([O-])c1ccc(-n2nnc(C3=NCCN3)c2-c2ccc(Cl)cc2)cc1 ZINC000001629411 204014441 /nfs/dbraw/zinc/01/44/41/204014441.db2.gz SOCLFZKCXIVUAT-UHFFFAOYSA-N 0 0 368.784 2.846 1 5 FFBFRN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 ZINC000036185152 205006445 /nfs/dbraw/zinc/00/64/45/205006445.db2.gz QPCHBZQNLODOBU-OAHLLOKOSA-N 0 0 361.423 2.873 1 5 FFBFRN Cn1nnnc1Sc1ncnc2scc(-c3ccc([N+](=O)[O-])cc3)c21 ZINC000036380189 205012789 /nfs/dbraw/zinc/01/27/89/205012789.db2.gz XKMWYIMATZNWHS-UHFFFAOYSA-N 0 0 371.407 2.941 3 5 FFBFRN O=[N+]([O-])c1cc(N[C@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000043260263 205102346 /nfs/dbraw/zinc/10/23/46/205102346.db2.gz SDRLCGHALZLVSO-HNNXBMFYSA-N 0 0 358.266 2.951 1 5 FFBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccncc3F)cc1)C2 ZINC000066259922 205365233 /nfs/dbraw/zinc/36/52/33/205365233.db2.gz UMRWPVJWNXNQFQ-AWEZNQCLSA-N 0 0 370.340 2.970 1 5 FFBFRN Cc1cc2nc3c(=O)n(C)c(=O)nc-3n(-c3ccc(Cl)cc3)c2cc1C ZINC000001619730 204014848 /nfs/dbraw/zinc/01/48/48/204014848.db2.gz DBYQBYKIEWYPPF-UHFFFAOYSA-N 0 0 366.808 2.854 1 5 FFBFRN C[C@@]12Cc3cc4c(cc3[C@@]1(c1ccc([N+](=O)[O-])cc1)OCCO2)OCO4 ZINC000001663113 204016220 /nfs/dbraw/zinc/01/62/20/204016220.db2.gz CTDADBHYUADXAE-RTBURBONSA-N 0 0 355.346 2.929 1 5 FFBFRN CC1(C)Oc2ccc([N+](=O)[O-])cc2[C@@H](NC(=O)c2ccc(F)cc2)[C@H]1O ZINC000027518772 204862130 /nfs/dbraw/zinc/86/21/30/204862130.db2.gz MBWWQPBRAYWCEQ-HZPDHXFCSA-N 0 0 360.341 2.737 1 5 FFBFRN CC1=C(C(=O)O[C@H]2C=CCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000036185140 205006884 /nfs/dbraw/zinc/00/68/84/205006884.db2.gz OXDXBKRZMVVTHP-GOEBONIOSA-N 0 0 357.366 2.875 1 5 FFBFRN COCCOc1cc2ncc3c(N)nc(-n4ccnc4)cc3c2cc1OC ZINC000045256308 205118925 /nfs/dbraw/zinc/11/89/25/205118925.db2.gz QSSGYSRUMIOURP-UHFFFAOYSA-N 0 0 365.393 2.585 1 5 in-vivo FFBFRN CC=C1C[N+](C)([O-])[C@H]2Cc3c4ccccc4[nH]c3C(=O)C[C@H]1[C@@H]2C(=O)OC ZINC000014649883 206312059 /nfs/dbraw/zinc/31/20/59/206312059.db2.gz SCBWVOFEDKLZRF-DNCPOOLFSA-N 0 0 368.433 2.975 1 5 FFBFRN COC(=O)[C@@H]1C[C@@]23C=CC[N+]4([O-])CC[C@@]5(c6ccccc6N[C@]15CC2)[C@H]34 ZINC000141087357 717152461 /nfs/dbraw/zinc/15/24/61/717152461.db2.gz IKQZCLPAGWMVGZ-SRRBXEMYSA-N 0 0 352.434 2.719 1 5 FFBFRN CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1cccc([N+](=O)[O-])c1 ZINC000029464878 204901544 /nfs/dbraw/zinc/90/15/44/204901544.db2.gz XFGFZYQHYXFFQT-UHFFFAOYSA-N 0 0 366.303 2.868 1 5 FFBFRN Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@H]([C@](C)(Cl)CO)O3 ZINC000014689044 571719728 /nfs/dbraw/zinc/71/97/28/571719728.db2.gz NJSSDVNYKRNTDP-DNVCBOLYSA-N 0 0 359.809 2.691 1 5 endogenous,in-man FFBFRN C[C@]12Cc3cc4c(cc3[C@@]1(c1ccc([N+](=O)[O-])cc1)OCCO2)OCO4 ZINC000001663112 204016072 /nfs/dbraw/zinc/01/60/72/204016072.db2.gz CTDADBHYUADXAE-RBUKOAKNSA-N 0 0 355.346 2.929 1 5 FFBFRN COCCCNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12 ZINC000002957475 204070482 /nfs/dbraw/zinc/07/04/82/204070482.db2.gz LDYLOSPDKCFVID-UHFFFAOYSA-N 0 0 361.401 2.767 3 5 FFBFRN NS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)cc1 ZINC000028712018 204886598 /nfs/dbraw/zinc/88/65/98/204886598.db2.gz XAQMQYCPMOVAQB-UHFFFAOYSA-N 0 0 361.301 2.896 1 5 FFBFRN CC[C@@]12CCC[N+]3([O-])CCc4c5ccccc5n(c4[C@H]13)[C@@](O)(C(=O)OC)C2 ZINC000033755492 204974423 /nfs/dbraw/zinc/97/44/23/204974423.db2.gz YMNSBLFXXIFOLR-IMWDKWLZSA-N 0 0 370.449 2.965 1 5 FFBFRN COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)O[C@H]1O[C@@H](O)C[C@H]41 ZINC000014715686 291063091 /nfs/dbraw/zinc/06/30/91/291063091.db2.gz ATDWDHGTLHHXNU-PSJAJJEDSA-N 0 0 356.330 2.504 1 5 endogenous,in-man FFBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1cccc(-c3ccc(F)cc3)n1)C2 ZINC000072126190 208802725 /nfs/dbraw/zinc/80/27/25/208802725.db2.gz BAXMCINBPOCTBO-ZDUSSCGKSA-N 0 0 356.313 2.832 1 5 FFBFRN Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1 ZINC000095588321 136151096 /nfs/dbraw/zinc/15/10/96/136151096.db2.gz MYLOZIMRILOZFD-UHFFFAOYSA-N 0 0 354.410 2.907 1 5 FFBFRN CCc1cnc(N2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)nc1 ZINC000066065967 536060095 /nfs/dbraw/zinc/06/00/95/536060095.db2.gz 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O=[N+]([O-])c1c(Nc2ccc(Br)cc2)n[nH]c1-c1nnco1 ZINC000004149118 207003045 /nfs/dbraw/zinc/00/30/45/207003045.db2.gz RCNGUPJSWWSJDY-UHFFFAOYSA-N 0 0 351.120 2.874 1 5 FFBFRN CNC(=S)N(C)CCNC(=O)c1cccc2cc3ccccc3nc21 ZINC000040424042 208253492 /nfs/dbraw/zinc/25/34/92/208253492.db2.gz PIHYDOFAMMPKAS-UHFFFAOYSA-N 0 0 352.463 2.554 1 5 FFBFRN CC(C)C[C@H](CO)NC(=O)COc1ccc2c(c1)oc1ccccc1c2=O ZINC000103228907 209249501 /nfs/dbraw/zinc/24/95/01/209249501.db2.gz UWNSLXWUHNTLJD-CQSZACIVSA-N 0 0 369.417 2.848 1 5 FFBFRN Cc1nc2ccc(NCC[N+](C)(C)[O-])c3c2n1c1ccc(F)cc1c3=O ZINC000101446270 209226579 /nfs/dbraw/zinc/22/65/79/209226579.db2.gz FIEUBJQBLNFJOV-UHFFFAOYSA-N 0 0 354.385 2.872 1 5 FFBFRN Cc1ncc([N+](=O)[O-])n1CCOC(=O)Nc1ccncc1Br ZINC000096929152 209163039 /nfs/dbraw/zinc/16/30/39/209163039.db2.gz MVOLDJVWBQZJJH-UHFFFAOYSA-N 0 0 370.163 2.506 1 5 FFBFRN CNC(=O)C1=CC(C(F)(F)F)(C(F)(F)F)Oc2ccc([N+](=O)[O-])cc21 ZINC000026397105 207914777 /nfs/dbraw/zinc/91/47/77/207914777.db2.gz OELSKZONJFAGSZ-UHFFFAOYSA-N 0 0 370.205 2.980 1 5 FFBFRN CC(=O)N[C@@H](CC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000038881500 208208843 /nfs/dbraw/zinc/20/88/43/208208843.db2.gz NKKGNNYKHIFQOE-INIZCTEOSA-N 0 0 357.322 2.953 1 5 FFBFRN COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(-n3ccnc3)c21 ZINC000012354967 207364676 /nfs/dbraw/zinc/36/46/76/207364676.db2.gz UIQQXOMFRCHRNJ-NTMALXAHSA-N 0 0 351.322 2.610 1 5 FFBFRN CC(C)NC(=S)N[C@H]1C[C@@H](C(C)(C)CO)Nc2ccc([N+](=O)[O-])cc21 ZINC000073349661 208879151 /nfs/dbraw/zinc/87/91/51/208879151.db2.gz WQCYUBYHVJUJKZ-GJZGRUSLSA-N 0 0 366.487 2.711 1 5 FFBFRN COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)O[C@@H]1O[C@H](O)C[C@@H]41 ZINC000230076874 291063095 /nfs/dbraw/zinc/06/30/95/291063095.db2.gz ATDWDHGTLHHXNU-OPOHFNCPSA-N 0 0 356.330 2.504 1 5 endogenous,in-man FFBFRN CC(=O)N1N=C(Cn2c(C)ncc2[N+](=O)[O-])O[C@H]1c1cc(C)ccc1C ZINC000096929451 209162878 /nfs/dbraw/zinc/16/28/78/209162878.db2.gz BPTUPQWXLQGLDX-KRWDZBQOSA-N 0 0 357.370 2.608 1 5 FFBFRN COc1cc2nc(CNc3ccc([N+](=O)[O-])cc3)nc(N)c2cc1OC ZINC000096907511 209160594 /nfs/dbraw/zinc/16/05/94/209160594.db2.gz DCTFPOMVQXIURO-UHFFFAOYSA-N 0 0 355.354 2.750 1 5 FFBFRN Cc1ncc([N+](=O)[O-])n1CCn1cc(COc2ccc(Cl)cc2)nn1 ZINC000040848211 208272811 /nfs/dbraw/zinc/27/28/11/208272811.db2.gz BAUPOCAQMYTTIQ-UHFFFAOYSA-N 0 0 362.777 2.624 1 5 FFBFRN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc([N+](=O)[O-])s2)NC(=O)N1 ZINC000040567098 208256669 /nfs/dbraw/zinc/25/66/69/208256669.db2.gz BGMVPVGSTKMLMK-CYBMUJFWSA-N 0 0 351.384 2.770 1 5 FFBFRN CC1=C(C(=O)Oc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000040567096 208256965 /nfs/dbraw/zinc/25/69/65/208256965.db2.gz SEGORAIRDLPERB-MRXNPFEDSA-N 0 0 353.334 2.828 1 5 FFBFRN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc([N+](=O)[O-])s2)NC(=O)N1 ZINC000040567097 208257443 /nfs/dbraw/zinc/25/74/43/208257443.db2.gz BGMVPVGSTKMLMK-ZDUSSCGKSA-N 0 0 351.384 2.770 1 5 FFBFRN CC(=O)Oc1ccc2c(c1)oc1cc(OC(C)=O)cc(OC(C)=O)c1c2=O ZINC000084596245 208958373 /nfs/dbraw/zinc/95/83/73/208958373.db2.gz ADQSTMGPNSJMME-UHFFFAOYSA-N 0 0 370.313 2.722 1 5 FFBFRN CN(C)C(=O)Cc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1 ZINC000095584938 209082013 /nfs/dbraw/zinc/08/20/13/209082013.db2.gz PAJURVZXMOOURE-UHFFFAOYSA-N 0 0 372.428 2.779 1 5 FFBFRN COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CC[N@+]3([O-])C[C@@H]2OC ZINC000685935685 717188392 /nfs/dbraw/zinc/18/83/92/717188392.db2.gz STSBYRGOIMMOGC-CXTHYWKRSA-N 0 0 359.422 2.830 1 5 biogenic,in-vitro FFBFRN CS(=O)(=O)Nc1ccc2ccc3ncc(NCC4CC4)cc3c(=O)c2c1 ZINC000101425549 209226374 /nfs/dbraw/zinc/22/63/74/209226374.db2.gz BUMUSMORDMSEBJ-UHFFFAOYSA-N 0 0 369.446 2.942 1 5 FFBFRN CCc1nc2ccccc2c(=O)n1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000045245751 208330555 /nfs/dbraw/zinc/33/05/55/208330555.db2.gz GHFUXFZRQABARX-UHFFFAOYSA-N 0 0 353.338 2.643 1 5 FFBFRN CCOC(=O)C1=C(C)NC(CC)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000084726754 208961980 /nfs/dbraw/zinc/96/19/80/208961980.db2.gz IFROGNZUKGVKFP-INIZCTEOSA-N 0 0 374.393 2.956 1 5 FFBFRN CC(=O)N1N=C(Cn2c(C)ncc2[N+](=O)[O-])O[C@@H]1c1cccc(Cl)c1 ZINC000096929443 209163174 /nfs/dbraw/zinc/16/31/74/209163174.db2.gz AKQDENAMYGMPRF-OAHLLOKOSA-N 0 0 363.761 2.644 1 5 FFBFRN COC(=O)CC[C@@H]1N=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2NC1=O ZINC000013860462 211063947 /nfs/dbraw/zinc/06/39/47/211063947.db2.gz UDXUQDLOQLXKBW-INIZCTEOSA-N 0 0 367.361 2.706 1 5 FFBFRN Cn1c(=O)nc2n(-c3ccc(Cl)cc3Cl)c3ccccc3nc-2c1=O ZINC000001618223 210361507 /nfs/dbraw/zinc/36/15/07/210361507.db2.gz VWWLDHTZVYONJZ-UHFFFAOYSA-N 0 0 373.199 2.891 1 5 FFBFRN CC(=O)N1N=C(Cn2c(C)ncc2[N+](=O)[O-])O[C@H]1c1ccc(Cl)cc1 ZINC000096929444 222142880 /nfs/dbraw/zinc/14/28/80/222142880.db2.gz VZKCRDMBKDIVKX-HNNXBMFYSA-N 0 0 363.761 2.644 1 5 FFBFRN O=C1C[C@H](c2ccccc2Cl)N1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000013828827 211061693 /nfs/dbraw/zinc/06/16/93/211061693.db2.gz LTYYAPLAPHFEQA-CYBMUJFWSA-N 0 0 366.782 2.911 1 5 FFBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(F)cc3)n1)C2 ZINC000066258796 221243815 /nfs/dbraw/zinc/24/38/15/221243815.db2.gz YCGXOOIDVMCISN-HNNXBMFYSA-N 0 0 370.340 2.970 1 5 FFBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccc(-c3ccc(F)cc3)cn1)C2 ZINC000072126025 221409997 /nfs/dbraw/zinc/40/99/97/221409997.db2.gz YANRSNFKZYPVNQ-AWEZNQCLSA-N 0 0 356.313 2.832 1 5 FFBFRN CCCC[NH2+]C[C@H](O)COc1cc(O)c2c(c1)oc1ccccc1c2=O ZINC000096933354 222142523 /nfs/dbraw/zinc/14/25/23/222142523.db2.gz AORKXODVJFADSZ-ZDUSSCGKSA-N 0 0 357.406 2.781 1 5 FFBFRN O=c1ccccn1[C@@H]1c2cc([N+](=O)[O-])ccc2OC2(CCCCC2)[C@H]1O ZINC000027554907 211465603 /nfs/dbraw/zinc/46/56/03/211465603.db2.gz FSVQLNPBBFBYFL-MSOLQXFVSA-N 0 0 356.378 2.802 1 5 FFBFRN O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3)c(N3CCOCC3)n2)cc1 ZINC000000978193 132379387 /nfs/dbraw/zinc/37/93/87/132379387.db2.gz BVYPZQXQXPMELU-UHFFFAOYSA-N 0 0 363.377 2.950 3 5 FFBFRN CC[C@@H]1[C@H]2[C@]34CC[N+]2([O-])CC[C@H]1C(C(=O)OC)=C3Nc1c4cccc1OC ZINC000036378817 717125294 /nfs/dbraw/zinc/12/52/94/717125294.db2.gz JTSRXZFJQAYPGA-FEGBVRAISA-N 0 0 370.449 2.932 1 5 FFBFRN COC(=O)[C@@H]1C[C@@]23CCC[N+]4([O-])CC[C@@]5(c6ccccc6N[C@]15CC2)[C@H]34 ZINC000238762045 717162643 /nfs/dbraw/zinc/16/26/43/717162643.db2.gz KWXHCCIXBUPHTG-SRRBXEMYSA-N 0 0 354.450 2.943 1 5 FFBFRN COC(=O)[C@@H]1C[C@]23CCC[N+]4([O-])CC[C@]5(c6ccccc6N(C)[C@@]15CC2)[C@@H]34 ZINC000238756562 717162714 /nfs/dbraw/zinc/16/27/14/717162714.db2.gz BNUUKLQENFAVRA-IHFVOQJJSA-N 0 0 368.477 2.967 1 5 FFBFRN CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc([N+](=O)[O-])cc1)CO2 ZINC000029344751 210242518 /nfs/dbraw/zinc/24/25/18/210242518.db2.gz UEFXUOGVGZTWCE-UHFFFAOYSA-N 0 0 357.326 2.654 1 5 FFBFRN Cc1ccc(S(=O)(=O)N(C)NSc2ccccc2[N+](=O)[O-])cc1 ZINC000028265537 211485660 /nfs/dbraw/zinc/48/56/60/211485660.db2.gz GGWWPVVUOXGFLF-UHFFFAOYSA-N 0 0 353.425 2.736 1 5 FFBFRN COC(=O)[C@H](C)NC(=O)c1cc2c3c(ccc2oc1=O)oc1ccccc13 ZINC000073197231 221560604 /nfs/dbraw/zinc/56/06/04/221560604.db2.gz JQMKSGHDBCSHNU-JTQLQIEISA-N 0 0 365.341 2.984 1 5 FFBFRN COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)O[C@H]1O[C@@H](O)C[C@@H]41 ZINC000014715684 291063100 /nfs/dbraw/zinc/06/31/00/291063100.db2.gz ATDWDHGTLHHXNU-XFEHBMGASA-N 0 0 356.330 2.504 1 5 endogenous,in-man FFBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(F)nc3)cc1)C2 ZINC000066251787 221242704 /nfs/dbraw/zinc/24/27/04/221242704.db2.gz BCRFZPDVKWMBPB-HNNXBMFYSA-N 0 0 370.340 2.970 1 5 FFBFRN Cn1cc2c(=O)c(OCCO)ccc-2c2ccc3cc4c(cc3c21)OCO4 ZINC000100828762 222254483 /nfs/dbraw/zinc/25/44/83/222254483.db2.gz WOPDLAJRYKEDEF-UHFFFAOYSA-O 0 0 364.377 2.776 1 5 FFBFRN CC(=O)N1N=C(Nc2nc3ccc([N+](=O)[O-])cc3s2)C[C@H]1OC1=CC=C1 ZINC000045285667 211814661 /nfs/dbraw/zinc/81/46/61/211814661.db2.gz BFQWDYNHKOTLDK-OAHLLOKOSA-N 0 0 371.378 2.979 1 5 FFBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(F)cn3)cc1)C2 ZINC000066261967 221243668 /nfs/dbraw/zinc/24/36/68/221243668.db2.gz BFENJCKAYWGGGH-HNNXBMFYSA-N 0 0 370.340 2.970 1 5 FFBFRN CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)n2[nH]c(=O)cc2N1 ZINC000100861685 222255467 /nfs/dbraw/zinc/25/54/67/222255467.db2.gz BPQOBCDNPBAZFQ-SCDSTIRESA-N 0 0 358.354 2.975 1 5 FFBFRN Cc1cc(O)ccc1-n1c2cc(Cl)ccc2c(=O)c2c(N)nc(N)nc21 ZINC000063298113 212031198 /nfs/dbraw/zinc/03/11/98/212031198.db2.gz GXFGHUNNGNQSMQ-UHFFFAOYSA-N 0 0 367.796 2.766 1 5 FFBFRN CC(=O)O[C@H](c1ncc([N+](=O)[O-])n1C)[C@@H](OC(C)=O)c1ccc(C)cc1 ZINC000040975145 211765259 /nfs/dbraw/zinc/76/52/59/211765259.db2.gz BGQWDFPFZPGIPZ-HOTGVXAUSA-N 0 0 361.354 2.545 1 5 FFBFRN CCCOc1ccc([N+](=O)[O-])cc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1 ZINC000013755572 211058089 /nfs/dbraw/zinc/05/80/89/211058089.db2.gz DRKXFOGKAMGWJN-UHFFFAOYSA-N 0 0 357.370 2.812 1 5 FFBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1-c1ccc(F)nc1)C2 ZINC000066252222 221242844 /nfs/dbraw/zinc/24/28/44/221242844.db2.gz SQPSPWUEIVICKY-AWEZNQCLSA-N 0 0 370.340 2.970 1 5 FFBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OC/C=C/c1ccc(C(F)(F)F)nc1)C2 ZINC000072126011 221410479 /nfs/dbraw/zinc/41/04/79/221410479.db2.gz JDPZHLMATFLFJB-GXFZAYBSSA-N 0 0 370.287 2.696 1 5 FFBFRN CCOC(=O)c1nn(C(=O)c2cccc(OC)c2)c2ccc([N+](=O)[O-])cc12 ZINC000096273858 222108200 /nfs/dbraw/zinc/10/82/00/222108200.db2.gz SIYHDAGPPJTNHW-UHFFFAOYSA-N 0 0 369.333 2.818 1 5 FFBFRN C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cc([N+](=O)[O-])ccc2[O-])C1C(=O)OC ZINC000100025586 222232416 /nfs/dbraw/zinc/23/24/16/222232416.db2.gz KLQQVDKAGDRJSS-WSTOHFRZSA-N 0 0 362.338 2.722 1 5 FFBFRN Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@@H]([C@@](C)(Cl)CO)O3 ZINC000014689042 571719707 /nfs/dbraw/zinc/71/97/07/571719707.db2.gz NJSSDVNYKRNTDP-KXBFYZLASA-N 0 0 359.809 2.691 1 5 endogenous,in-man FFBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccncc3)cc1)C2 ZINC000066263498 221244254 /nfs/dbraw/zinc/24/42/54/221244254.db2.gz JVCHBIKNDPNJRV-INIZCTEOSA-N 0 0 352.350 2.831 1 5 FFBFRN COc1ccc2c(c1)c(=O)c1c3c(ccc1NCC[N+](C)(C)[O-])nc(C)n32 ZINC000101446269 222275462 /nfs/dbraw/zinc/27/54/62/222275462.db2.gz LOFMCZTVGPXDFK-UHFFFAOYSA-N 0 0 366.421 2.742 1 5 FFBFRN O=c1[nH]c2cc([N+](=O)[O-])c(-n3cccc3)cc2n(C2CCCCC2)c1=O ZINC000026731133 581101808 /nfs/dbraw/zinc/10/18/08/581101808.db2.gz DQHACVVBVVEAAG-UHFFFAOYSA-N 0 0 354.366 2.894 1 5 FFBFRN COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)O[C@@H]1O[C@@H](O)C[C@@H]41 ZINC000230076868 291063089 /nfs/dbraw/zinc/06/30/89/291063089.db2.gz ATDWDHGTLHHXNU-FVHKRJICSA-N 0 0 356.330 2.504 1 5 endogenous,in-man FFBFRN CC1(C)Oc2ccc([N+](=O)[O-])cc2[C@H](NC(=O)c2ccc(F)cc2)[C@H]1O ZINC000013604623 220078312 /nfs/dbraw/zinc/07/83/12/220078312.db2.gz MBWWQPBRAYWCEQ-JKSUJKDBSA-N 0 0 360.341 2.737 1 5 FFBFRN CCCC[NH2+]C[C@@H](O)COc1cc(O)c2c(c1)oc1ccccc1c2=O ZINC000096933355 222142341 /nfs/dbraw/zinc/14/23/41/222142341.db2.gz AORKXODVJFADSZ-CYBMUJFWSA-N 0 0 357.406 2.781 1 5 FFBFRN CC(=O)Oc1cc(OC(C)=O)c2c(c1)oc1cccc(OC(C)=O)c1c2=O ZINC000014821969 220133564 /nfs/dbraw/zinc/13/35/64/220133564.db2.gz RUHHEUCZVGOZJX-UHFFFAOYSA-N 0 0 370.313 2.722 1 5 FFBFRN COc1ccc(NC(=O)[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N(C)C)cc1 ZINC000020108190 220312834 /nfs/dbraw/zinc/31/28/34/220312834.db2.gz UMVMIOPSSRLOEX-KRWDZBQOSA-N 0 0 373.365 2.574 3 5 FFBFRN C[N+](C)(C)CCCCC/C=C(\NC(=O)[C@@H]1CC1(Cl)Cl)C(=O)[O-] ZINC000026020539 717113659 /nfs/dbraw/zinc/11/36/59/717113659.db2.gz DHCWNKSMKLLZGJ-LCFDYFRESA-O 0 0 352.282 2.532 1 5 FFBFRN COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CC[N+]3([O-])C[C@@H]2OC ZINC000085730883 717136985 /nfs/dbraw/zinc/13/69/85/717136985.db2.gz STSBYRGOIMMOGC-IUEFSSSCSA-N 0 0 359.422 2.830 1 5 FFBFRN COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)O[C@H]1O[C@H](O)C[C@@H]41 ZINC000014715680 291063404 /nfs/dbraw/zinc/06/34/04/291063404.db2.gz ATDWDHGTLHHXNU-PVYSZQQSSA-N 0 0 356.330 2.504 1 5 endogenous,in-man FFBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccnc(-c3ccc(F)cc3)c1)C2 ZINC000066263121 221243607 /nfs/dbraw/zinc/24/36/07/221243607.db2.gz JUPGENKFYREQPJ-HNNXBMFYSA-N 0 0 370.340 2.970 1 5 FFBFRN O=c1c2ccc(Cl)cc2oc2c(CN3CCN(CCO)CC3)cccc12 ZINC000096927923 222141247 /nfs/dbraw/zinc/14/12/47/222141247.db2.gz UZHJWVXQNRNSMC-UHFFFAOYSA-N 0 0 372.852 2.710 1 5 FFBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1-c1ccncc1)C2 ZINC000066263626 221243512 /nfs/dbraw/zinc/24/35/12/221243512.db2.gz BSPHLYUVTJTBAW-HNNXBMFYSA-N 0 0 352.350 2.831 1 5 FFBFRN COc1ccc2c(c1)oc1ccc(C(=O)N[C@@H](CO)C(C)C)cc1c2=O ZINC000103228851 222326873 /nfs/dbraw/zinc/32/68/73/222326873.db2.gz HEVQDFFDQMAEAG-INIZCTEOSA-N 0 0 355.390 2.702 1 5 FFBFRN COC(=O)[C@]12COCC[C@@H]3[C@H](c4c5ccccc5[nH]c41)[N@@+](C)([O-])CC[C@@H]32 ZINC000255256241 717171721 /nfs/dbraw/zinc/17/17/21/717171721.db2.gz OSMMAUUKWDERDD-ZRWJFXDNSA-N 0 0 356.422 2.634 1 5 FFBFRN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000029324576 220600283 /nfs/dbraw/zinc/60/02/83/220600283.db2.gz ZZVDQTCQGYISLQ-INIZCTEOSA-N 0 0 360.366 2.566 1 5 FFBFRN COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(OC)c([N+](=O)[O-])c3)O2)cc1 ZINC000045245135 220967523 /nfs/dbraw/zinc/96/75/23/220967523.db2.gz FBUFLQKKJUYYGJ-SFHVURJKSA-N 0 0 371.349 2.851 1 5 FFBFRN COc1cc(-n2ncnc2-c2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000049071013 221018831 /nfs/dbraw/zinc/01/88/31/221018831.db2.gz ABRVWEPVYGNRFT-UHFFFAOYSA-N 0 0 356.338 2.868 1 5 FFBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(F)cc3)nc1)C2 ZINC000066260265 221244258 /nfs/dbraw/zinc/24/42/58/221244258.db2.gz IVKZYCCYHBNVHH-HNNXBMFYSA-N 0 0 370.340 2.970 1 5 FFBFRN CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@H]1c1ccccc1[N+](=O)[O-] ZINC000103253091 222328747 /nfs/dbraw/zinc/32/87/47/222328747.db2.gz KAOXCRMXOXAWJO-OAHLLOKOSA-N 0 0 356.334 2.558 1 5 FFBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(F)cc3)cn1)C2 ZINC000066262720 221243653 /nfs/dbraw/zinc/24/36/53/221243653.db2.gz AMONCAYAQHJZKI-INIZCTEOSA-N 0 0 370.340 2.970 1 5 FFBFRN CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccc(F)cc2)CC1 ZINC000095592807 132215919 /nfs/dbraw/zinc/21/59/19/132215919.db2.gz BKPPOLBWVUWRTJ-UHFFFAOYSA-N 0 0 358.373 2.738 1 5 FFBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccnc(F)c3)cc1)C2 ZINC000066263770 221243813 /nfs/dbraw/zinc/24/38/13/221243813.db2.gz RWEQAOMHZVOGCY-HNNXBMFYSA-N 0 0 370.340 2.970 1 5 FFBFRN C[N+]1([O-])CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3 ZINC000014681294 717110845 /nfs/dbraw/zinc/11/08/45/717110845.db2.gz FUWVSQIZKKGXNV-UHFFFAOYSA-N 0 0 369.373 2.570 1 5 FFBFRN COC(=O)[C@@H]1C[C@]23CCC[N+]4([O-])CC[C@@]5(c6ccccc6N[C@@]15CC2)[C@H]34 ZINC000085991033 717137389 /nfs/dbraw/zinc/13/73/89/717137389.db2.gz KWXHCCIXBUPHTG-FHODUTLASA-N 0 0 354.450 2.943 1 5 FFBFRN O=[N+]([O-])c1cc(N[C@H]2C[C@H](O)[C@H](O)CO2)cc(Sc2ccccc2)c1 ZINC000004571268 204148462 /nfs/dbraw/zinc/14/84/62/204148462.db2.gz AQFSCHZBYWUHCK-GVDBMIGSSA-N 0 0 362.407 2.626 2 5 FFBFRN COc1ccc(NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 ZINC000004870164 204171271 /nfs/dbraw/zinc/17/12/71/204171271.db2.gz SBOXXAVLXUWGLE-YNEHKIRRSA-N 0 0 362.382 2.911 1 5 FFBFRN Cn1nnnc1Sc1ncnc2scc(-c3cccc([N+](=O)[O-])c3)c21 ZINC000036380188 205012853 /nfs/dbraw/zinc/01/28/53/205012853.db2.gz URTIUFLCVLTOTA-UHFFFAOYSA-N 0 0 371.407 2.941 1 5 FFBFRN Cn1nnnc1Sc1ncnc2scc(-c3ccccc3[N+](=O)[O-])c21 ZINC000036380187 205013056 /nfs/dbraw/zinc/01/30/56/205013056.db2.gz XFUJVOPRWUGGLT-UHFFFAOYSA-N 0 0 371.407 2.941 1 5 FFBFRN CCOC(=O)C1=C(CC)NC(C)=C(C(=O)OC)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000049124646 205171042 /nfs/dbraw/zinc/17/10/42/205171042.db2.gz ZPHBSZUSTBOEKD-MRXNPFEDSA-N 0 0 374.393 2.956 1 5 FFBFRN COC(=O)C1=C2Nc3ccccc3[C@]23CC[N+]2([O-])CC[C@H]1[C@H]([C@H](C)OC)[C@H]32 ZINC000206222444 717160443 /nfs/dbraw/zinc/16/04/43/717160443.db2.gz FCDPRPCHRKAVFH-RDZPGIKVSA-N 0 0 370.449 2.549 1 5 FFBFRN CN1C[C@@H](OCc2ccc(OC(F)(F)F)cc2)Cn2nc([N+](=O)[O-])cc21 ZINC000040933401 205085435 /nfs/dbraw/zinc/08/54/35/205085435.db2.gz JWDQEQKAGFWDRM-GFCCVEGCSA-N 0 0 372.303 2.725 1 5 FFBFRN O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(Cn3ccnc3)cc2)cc1 ZINC000043011933 205099174 /nfs/dbraw/zinc/09/91/74/205099174.db2.gz YPBVWMGEGHBUFZ-UHFFFAOYSA-N 0 0 359.363 2.607 1 5 FFBFRN COC(=O)[C@@H]1C[C@@]23C=CC[N+]4([O-])CC[C@@]5(c6ccccc6N[C@]15[C@H]2C)[C@H]34 ZINC000036378748 717125104 /nfs/dbraw/zinc/12/51/04/717125104.db2.gz JOAAIYRFWUHKSF-DXQCCXLBSA-N 0 0 352.434 2.574 1 5 FFBFRN CCOC(=O)c1cc2ccccc2n1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000040848376 205083119 /nfs/dbraw/zinc/08/31/19/205083119.db2.gz PSVLDWGVYQISKL-UHFFFAOYSA-N 0 0 374.374 2.963 1 5 FFBFRN O=[N+]([O-])c1ccc(CSc2nnnn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059365085 205282187 /nfs/dbraw/zinc/28/21/87/205282187.db2.gz YUPBAVOVIMVUII-UHFFFAOYSA-N 0 0 358.339 2.771 1 5 FFBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3cccnc3)c1)C2 ZINC000066252503 205366279 /nfs/dbraw/zinc/36/62/79/205366279.db2.gz SOWFEILUEXCKNI-INIZCTEOSA-N 0 0 352.350 2.831 1 5 FFBFRN COC(=O)C1(C(=O)OC)C/C=C/C/C=C/c2ccccc2[C@@H]1C[N+](=O)[O-] ZINC000169293222 206248967 /nfs/dbraw/zinc/24/89/67/206248967.db2.gz QZINBYHRPRNVFU-MRBRFFFSSA-N 0 0 359.378 2.743 1 5 FFBFRN C[C@H]1COC2(CCC(C(=O)Nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2)O1 ZINC000169350166 206253446 /nfs/dbraw/zinc/25/34/46/206253446.db2.gz YVBFZVSCHHHIJO-SGWRBKMISA-N 0 0 365.342 2.763 1 5 FFBFRN Cc1ccc(S(=O)(=O)Cc2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000003199857 204081630 /nfs/dbraw/zinc/08/16/30/204081630.db2.gz QFJREYKOBQIKFE-UHFFFAOYSA-N 0 0 354.315 2.924 3 5 FFBFRN CC(=O)N[C@H](CC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000038881502 205043902 /nfs/dbraw/zinc/04/39/02/205043902.db2.gz NKKGNNYKHIFQOE-MRXNPFEDSA-N 0 0 357.322 2.953 1 5 FFBFRN CC[NH+](CC)C[C@@H](O)Cn1c2ccccc2c(=O)c2cccc(C(=O)[O-])c21 ZINC000049588937 205173834 /nfs/dbraw/zinc/17/38/34/205173834.db2.gz RZJCEYQQEYHGSF-CQSZACIVSA-N 0 0 368.433 2.556 1 5 FFBFRN O=C1Nc2ccccc2[C@@]12[C@H](c1ccc(F)cc1)[C@@H]([N+](=O)[O-])[C@@H]1CCCN12 ZINC000169322057 206250868 /nfs/dbraw/zinc/25/08/68/206250868.db2.gz GMYLZTVKXGTHHR-HLNWXESRSA-N 0 0 367.380 2.880 1 5 FFBFRN O=[N+]([O-])c1ccc(CCN2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000098085177 132232051 /nfs/dbraw/zinc/23/20/51/132232051.db2.gz CXUPIKFOYBQLBD-UHFFFAOYSA-N 0 0 356.382 2.868 1 5 FFBFRN O=[N+]([O-])c1cc(N[C@H]2C[C@@H](O)[C@H](O)CO2)cc(Sc2ccccc2)c1 ZINC000004571278 204147698 /nfs/dbraw/zinc/14/76/98/204147698.db2.gz AQFSCHZBYWUHCK-BRWVUGGUSA-N 0 0 362.407 2.626 2 5 FFBFRN COC(=O)C1(C(=O)OC)C/C=C\C/C=C\c2ccccc2[C@@H]1C[N+](=O)[O-] ZINC000008682168 204338509 /nfs/dbraw/zinc/33/85/09/204338509.db2.gz QZINBYHRPRNVFU-AMRCGWRHSA-N 0 0 359.378 2.743 1 5 FFBFRN O=[N+]([O-])c1cc2n(n1)C[C@@H](OCc1ccc(OC(F)(F)F)cc1)CN2 ZINC000040411621 205070303 /nfs/dbraw/zinc/07/03/03/205070303.db2.gz GFVMHDKZPCGREP-NSHDSACASA-N 0 0 358.276 2.701 1 5 FFBFRN CCOC(=O)C1=C(CC)NC(C)=C(C(=O)OC)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000049124650 205170918 /nfs/dbraw/zinc/17/09/18/205170918.db2.gz ZPHBSZUSTBOEKD-INIZCTEOSA-N 0 0 374.393 2.956 1 5 FFBFRN COc1cc2c(cc1O)[C@]1(Cc3ccc4c(c3C1)OCO4)[N+](C)([O-])CC2 ZINC000015219648 717111404 /nfs/dbraw/zinc/11/14/04/717111404.db2.gz JNIPFMUGTLRRJS-VQCQRNETSA-N 0 0 355.390 2.624 1 5 FFBFRN CC[C@@]12CCC[N@@+]3([O-])CCc4c5ccccc5n(c4[C@H]13)[C@@](O)(C(=O)OC)C2 ZINC000253867344 717168981 /nfs/dbraw/zinc/16/89/81/717168981.db2.gz YMNSBLFXXIFOLR-LCKKVJLRSA-N 0 0 370.449 2.965 1 5 FFBFRN CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(O)cc2)NC(=O)N1 ZINC000005523471 204213836 /nfs/dbraw/zinc/21/38/36/204213836.db2.gz BBQKJUNIQHROLK-MRXNPFEDSA-N 0 0 368.349 2.567 1 5 FFBFRN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000006333412 204244664 /nfs/dbraw/zinc/24/46/64/204244664.db2.gz HSGNUDDAIMKDDJ-UHFFFAOYSA-N 0 0 357.731 2.957 1 5 FFBFRN CC(=O)O[C@H](c1ccc(C)cc1)[C@@H](OC(C)=O)c1ncc([N+](=O)[O-])n1C ZINC000040975151 205086205 /nfs/dbraw/zinc/08/62/05/205086205.db2.gz BGQWDFPFZPGIPZ-HZPDHXFCSA-N 0 0 361.354 2.545 1 5 FFBFRN C/C=C1/C[N+]2([O-])[C@H]3C[C@@H]1[C@@](CO)(C(=O)OC)[C@@H]2Cc1c2ccccc2[nH]c13 ZINC000033830925 291055472 /nfs/dbraw/zinc/05/54/72/291055472.db2.gz ATIZKZWYIGEWST-VLAYTLPWSA-N 0 0 368.433 2.580 1 5 biogenic,in-vitro FFBFRN C[N+](C)(C)CCCCC/C=C(\NC(=O)[C@H]1CC1(Cl)Cl)C(=O)[O-] ZINC000026020546 204845434 /nfs/dbraw/zinc/84/54/34/204845434.db2.gz DHCWNKSMKLLZGJ-HQQGHWSLSA-O 0 0 352.282 2.532 1 5 FFBFRN COc1ccc2c(c1OC)[C@@H](O)[C@@H]1c3c(cc4c(c3-2)OCO4)CC[N+]1(C)[O-] ZINC000013410130 717108002 /nfs/dbraw/zinc/10/80/02/717108002.db2.gz NKRHOILNOKGLBP-GARIHTGFSA-N 0 0 371.389 2.688 1 5 FFBFRN O=[N+]([O-])c1cc(CSc2nnnn2-c2ccccc2)cc([N+](=O)[O-])c1 ZINC000135893495 209373438 /nfs/dbraw/zinc/37/34/38/209373438.db2.gz GLYYPVZSSUURQB-UHFFFAOYSA-N 0 0 358.339 2.771 1 5 FFBFRN Cc1cc(=O)[nH]c2cc(NC(=O)c3c([N+](=O)[O-])cccc3[N+](=O)[O-])ccc12 ZINC000103272933 209251148 /nfs/dbraw/zinc/25/11/48/209251148.db2.gz SNQPRRUUQXRWRJ-UHFFFAOYSA-N 0 0 368.305 2.905 1 5 FFBFRN CC(C)Nc1ccc([C@@H](CC(N)=O)NC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000015937470 207575396 /nfs/dbraw/zinc/57/53/96/207575396.db2.gz OLPQNUNDLBQIAB-MRXNPFEDSA-N 0 0 370.409 2.762 3 5 FFBFRN O=C(N=c1[nH]c2ccccc2n1C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000036184973 208148601 /nfs/dbraw/zinc/14/86/01/208148601.db2.gz MDRTXGAXFNLXEX-OAHLLOKOSA-N 0 0 366.377 2.798 1 5 FFBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(F)nc3)c1)C2 ZINC000066258996 208696567 /nfs/dbraw/zinc/69/65/67/208696567.db2.gz VVVNKPWNORZRAI-HNNXBMFYSA-N 0 0 370.340 2.970 1 5 FFBFRN COC(=O)[C@]12COCC[C@@H]3[C@H](c4c5ccccc5[nH]c41)[N+](C)([O-])CC[C@@H]32 ZINC000040393098 208250268 /nfs/dbraw/zinc/25/02/68/208250268.db2.gz OSMMAUUKWDERDD-CUOBZRHHSA-N 0 0 356.422 2.634 1 5 FFBFRN Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@H]([C@@](C)(Cl)CO)O3 ZINC000014689040 571719703 /nfs/dbraw/zinc/71/97/03/571719703.db2.gz NJSSDVNYKRNTDP-BEFAXECRSA-N 0 0 359.809 2.691 1 5 endogenous,in-man FFBFRN COc1ccc(NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 ZINC000004870160 207057434 /nfs/dbraw/zinc/05/74/34/207057434.db2.gz SBOXXAVLXUWGLE-XQQFMLRXSA-N 0 0 362.382 2.911 1 5 FFBFRN O=C(Cc1ccccc1)N[C@H]1CCO[C@H](c2cccc([N+](=O)[O-])c2)OC1 ZINC000028826715 207975028 /nfs/dbraw/zinc/97/50/28/207975028.db2.gz YJLLGBMBLVHFMH-LPHOPBHVSA-N 0 0 356.378 2.758 1 5 FFBFRN CC=C1C[N+](C)([O-])[C@H]2Cc3c4ccccc4[nH]c3C(=O)C[C@@H]1[C@@H]2C(=O)OC ZINC000014649887 717110764 /nfs/dbraw/zinc/11/07/64/717110764.db2.gz SCBWVOFEDKLZRF-XCDQLIKMSA-N 0 0 368.433 2.975 1 5 FFBFRN NC(=O)[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1c(Cl)cccc1Cl ZINC000006567815 207146469 /nfs/dbraw/zinc/14/64/69/207146469.db2.gz AECDRCQPKBHMIY-CYBMUJFWSA-N 0 0 368.176 2.858 1 5 FFBFRN O=C(N=c1[nH]c2ccccc2n1C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000036184972 208148289 /nfs/dbraw/zinc/14/82/89/208148289.db2.gz MDRTXGAXFNLXEX-HNNXBMFYSA-N 0 0 366.377 2.798 1 5 FFBFRN O=[N+]([O-])c1cc2n(n1)C[C@H](OCc1ccc(OC(F)(F)F)cc1)CN2 ZINC000040411618 208252521 /nfs/dbraw/zinc/25/25/21/208252521.db2.gz GFVMHDKZPCGREP-LLVKDONJSA-N 0 0 358.276 2.701 1 5 FFBFRN O=C(c1ccc([N+](=O)[O-])cc1)N1CC(=O)N2CCCc3ccccc3[C@H]2C1 ZINC000026174585 207908775 /nfs/dbraw/zinc/90/87/75/207908775.db2.gz WZSCNLAVOAIOAV-GOSISDBHSA-N 0 0 365.389 2.567 1 5 FFBFRN C[C@@H](C(N)=O)c1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1 ZINC000095580905 209081455 /nfs/dbraw/zinc/08/14/55/209081455.db2.gz NTHLVSPRDLDFRH-GFCCVEGCSA-N 0 0 358.401 2.738 1 5 FFBFRN COc1cc2c(c(=O)c3ccccc3n2COC(C)=O)c(OC)c1OC ZINC000014774893 291061893 /nfs/dbraw/zinc/06/18/93/291061893.db2.gz YMFPNVLLKUBOIG-UHFFFAOYSA-N 0 0 357.362 2.701 1 5 biogenic,in-vitro FFBFRN O=C(NC(=S)N=c1[nH]c2ccccc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000006244216 207133774 /nfs/dbraw/zinc/13/37/74/207133774.db2.gz YSZXCORQMVUNBR-UHFFFAOYSA-N 0 0 358.404 2.753 1 5 FFBFRN CNC(=O)c1nc(C)c([C@]2(C)CC(c3cccc([N+](=O)[O-])c3)=NO2)s1 ZINC000013478212 207463150 /nfs/dbraw/zinc/46/31/50/207463150.db2.gz SWQIXYVUYBJEEQ-INIZCTEOSA-N 0 0 360.395 2.759 3 5 FFBFRN Cc1cccc2c1nc1c3ccc4c(=O)[nH]c(=O)c5ccc(c(=O)n21)c3c45 ZINC000064437050 208613074 /nfs/dbraw/zinc/61/30/74/208613074.db2.gz PHLZVDRNWYEEKR-UHFFFAOYSA-N 0 0 353.337 2.540 1 5 FFBFRN C[N@@+]1([O-])CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3 ZINC000253664755 717166988 /nfs/dbraw/zinc/16/69/88/717166988.db2.gz FUWVSQIZKKGXNV-OAQYLSRUSA-N 0 0 369.373 2.570 1 5 FFBFRN CC1(C)Oc2cc3oc(=O)c4c5ccc(O)cc5oc4c3cc2[C@H](O)[C@H]1O ZINC000013408693 291057839 /nfs/dbraw/zinc/05/78/39/291057839.db2.gz QYJUEWQOEZPDIA-FUHWJXTLSA-N 0 0 368.341 2.963 1 5 biogenic,in-vitro FFBFRN COC(=O)[C@@H]1C[C@@]23C=CC[N+]4([O-])CC[C@]5(c6ccccc6N[C@]15[C@@H]2C)[C@H]34 ZINC000085541639 291060649 /nfs/dbraw/zinc/06/06/49/291060649.db2.gz JOAAIYRFWUHKSF-VZGUGNCASA-N 0 0 352.434 2.574 1 5 biogenic,in-vitro FFBFRN Cn1c(=O)nc2n(-c3cccc(C(F)(F)F)c3)c3ccccc3nc-2c1=O ZINC000013755539 211058178 /nfs/dbraw/zinc/05/81/78/211058178.db2.gz YRGNPRUMQHQEEU-UHFFFAOYSA-N 0 0 372.306 2.603 1 5 FFBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cc(-c3ccc(F)cc3)ccn1)C2 ZINC000066262919 221244011 /nfs/dbraw/zinc/24/40/11/221244011.db2.gz BTMRIIKBSPNVEK-INIZCTEOSA-N 0 0 370.340 2.970 1 5 FFBFRN O=C(Nc1ccc([O-])c(Sc2nc[nH]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000096932736 222142992 /nfs/dbraw/zinc/14/29/92/222142992.db2.gz JEQPSDUOQZVNJB-UHFFFAOYSA-N 0 0 357.351 2.822 1 5 FFBFRN COC(=O)[C@]12COCC[C@@H]3[C@H](c4c5ccccc5[nH]c41)[N@+](C)([O-])CC[C@@H]32 ZINC000299806739 717180279 /nfs/dbraw/zinc/18/02/79/717180279.db2.gz OSMMAUUKWDERDD-OKZPVNIOSA-N 0 0 356.422 2.634 1 5 FFBFRN COc1cc(-c2ncnn2-c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000023549907 211391831 /nfs/dbraw/zinc/39/18/31/211391831.db2.gz YPKMUZAUTGBMSU-UHFFFAOYSA-N 0 0 356.338 2.868 1 5 FFBFRN C[C@@H]1C(=O)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 ZINC000013828837 211062224 /nfs/dbraw/zinc/06/22/24/211062224.db2.gz HOWFCNMWQPJPBN-ZUZCIYMTSA-N 0 0 364.354 2.642 1 5 FFBFRN CNC(=O)c1nc(C)c([C@@]2(C)CC(c3cccc([N+](=O)[O-])c3)=NO2)s1 ZINC000013478210 211035637 /nfs/dbraw/zinc/03/56/37/211035637.db2.gz SWQIXYVUYBJEEQ-MRXNPFEDSA-N 0 0 360.395 2.759 3 5 FFBFRN COC(=O)C1(C(=O)OC)C/C=C\C/C=C/c2ccccc2[C@@H]1C[N+](=O)[O-] ZINC000169293221 222557667 /nfs/dbraw/zinc/55/76/67/222557667.db2.gz QZINBYHRPRNVFU-JMKHXZCXSA-N 0 0 359.378 2.743 1 5 FFBFRN CC[C@H]1[C@H]2[C@]34CC[N+]2([O-])CC[C@H]1C(C(=O)OC)=C3Nc1c4cccc1OC ZINC000036378816 717125067 /nfs/dbraw/zinc/12/50/67/717125067.db2.gz JTSRXZFJQAYPGA-OHFHXHEBSA-N 0 0 370.449 2.932 1 5 FFBFRN COc1ccc2c(c1OC)C[N+]1([O-])CCc3cc4c(cc3[C@@H]1[C@@H]2O)OCO4 ZINC000014618302 291063096 /nfs/dbraw/zinc/06/30/96/291063096.db2.gz OAZLDYLMBSFNAY-AQFHOAJTSA-N 0 0 371.389 2.592 1 5 biogenic,in-vitro FFBFRN CCCn1c2c(c(=O)n(CCC)c1=O)NC(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000040846612 211761677 /nfs/dbraw/zinc/76/16/77/211761677.db2.gz AFHXIAFLVQWNGJ-UHFFFAOYSA-N 0 0 372.381 2.592 1 5 FFBFRN Nn1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000034751767 211620975 /nfs/dbraw/zinc/62/09/75/211620975.db2.gz ZJGKYLNHVBVWPO-UHFFFAOYSA-N 0 0 358.339 2.627 1 5 FFBFRN Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@@H]([C@](C)(Cl)CO)O3 ZINC000014689046 571719787 /nfs/dbraw/zinc/71/97/87/571719787.db2.gz NJSSDVNYKRNTDP-HNAYVOBHSA-N 0 0 359.809 2.691 1 5 endogenous,in-man FFBFRN C/C=C1/C[N+]2([O-])CC[C@]34c5ccc(OC)cc5NC3=C(C(=O)OC)[C@H]1C[C@@H]42 ZINC000013309627 717107580 /nfs/dbraw/zinc/10/75/80/717107580.db2.gz CPUGFGPEBLBEKJ-KESQYBAPSA-N 0 0 368.433 2.852 1 5 FFBFRN COc1cc2c(cc1OC)[C@@]13C[C@@H](OC)C=CC1=CC[N+]3([O-])C[C@@H]2OC ZINC000085730879 717136994 /nfs/dbraw/zinc/13/69/94/717136994.db2.gz STSBYRGOIMMOGC-IQFQHSCCSA-N 0 0 359.422 2.830 1 5 FFBFRN Cn1c(=O)nc2n(-c3cc(Cl)cc(Cl)c3)c3ccccc3nc-2c1=O ZINC000000607307 210251654 /nfs/dbraw/zinc/25/16/54/210251654.db2.gz WYOZXPBUTSDQCX-UHFFFAOYSA-N 0 0 373.199 2.891 1 5 FFBFRN CC(C)OC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000005963064 210231563 /nfs/dbraw/zinc/23/15/63/210231563.db2.gz DZPAUCCVTKZCTH-UHFFFAOYSA-N 0 0 372.786 2.852 1 5 FFBFRN O=C(c1ccc([N+](=O)[O-])cc1)N1CC(=O)N2CCCc3ccccc3[C@@H]2C1 ZINC000026174582 211442497 /nfs/dbraw/zinc/44/24/97/211442497.db2.gz WZSCNLAVOAIOAV-SFHVURJKSA-N 0 0 365.389 2.567 1 5 FFBFRN O=c1[nH]c2cc(F)c(OCCCc3ccccc3)c([N+](=O)[O-])c2[nH]c1=O ZINC000013761209 211058274 /nfs/dbraw/zinc/05/82/74/211058274.db2.gz VNQLCFICOVVCGM-UHFFFAOYSA-N 0 0 359.313 2.688 1 5 FFBFRN CCc1ccc([C@H]2OC(Cn3c(C)ncc3[N+](=O)[O-])=NN2C(C)=O)cc1 ZINC000096929448 222142899 /nfs/dbraw/zinc/14/28/99/222142899.db2.gz AYAVLVPFOTVBFA-QGZVFWFLSA-N 0 0 357.370 2.553 1 5 FFBFRN C/C=C1/C[N+]2([O-])CC[C@@]34c5ccccc5N(C)[C@H]3[C@@H]2C[C@@H]1[C@H]4C(=O)OC ZINC000238751339 717162671 /nfs/dbraw/zinc/16/26/71/717162671.db2.gz TZTSOWBLAOOMOT-LQUWVEFNSA-N 0 0 354.450 2.599 1 5 FFBFRN C[N@+]1([O-])CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3 ZINC000253664747 717167183 /nfs/dbraw/zinc/16/71/83/717167183.db2.gz FUWVSQIZKKGXNV-NRFANRHFSA-N 0 0 369.373 2.570 1 5 FFBFRN COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)O[C@H]1O[C@H](O)C[C@H]41 ZINC000014715682 291063347 /nfs/dbraw/zinc/06/33/47/291063347.db2.gz ATDWDHGTLHHXNU-CCZCPNHSSA-N 0 0 356.330 2.504 1 5 endogenous,in-man FFBFRN CC1=C(C(=O)O[C@H]2C=CCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000036185138 211656056 /nfs/dbraw/zinc/65/60/56/211656056.db2.gz OXDXBKRZMVVTHP-HOCLYGCPSA-N 0 0 357.366 2.875 1 5 FFBFRN C/C=C1/C[N+]2([O-])[C@H]3C[C@@H]1[C@](CO)(C(=O)OC)[C@@H]2Cc1c2ccccc2[nH]c13 ZINC000141438262 717152452 /nfs/dbraw/zinc/15/24/52/717152452.db2.gz ATIZKZWYIGEWST-KUJZOGMMSA-N 0 0 368.433 2.580 1 5 FFBFRN COc1cc2c3c4c1O[C@@]1(OC)C[C@@]4(CC[C@H]1O)CC[C@@H]3[N+](C)([O-])CC2 ZINC000238760904 717162636 /nfs/dbraw/zinc/16/26/36/717162636.db2.gz QYUOYYHYLYJONM-LQKLFZRJSA-N 0 0 361.438 2.548 1 5 FFBFRN NC(=O)CCC[C@@H]([NH2+]Cc1c2ccccc2nc2ccccc21)C(=O)[O-] ZINC000005615964 210632199 /nfs/dbraw/zinc/63/21/99/210632199.db2.gz QYPSNLDYYPJMPY-GOSISDBHSA-N 0 0 351.406 2.586 1 5 FFBFRN COC(=O)[C@H]1C[C@@]23CCC[N+]4([O-])CC[C@@]5(c6ccccc6N[C@]15CC2)[C@H]34 ZINC000238732093 717162345 /nfs/dbraw/zinc/16/23/45/717162345.db2.gz KWXHCCIXBUPHTG-PIDAVBACSA-N 0 0 354.450 2.943 1 5 FFBFRN Cn1c(=O)nc2n(-c3ccc(Cl)cc3)c3ccc(Cl)cc3nc-2c1=O ZINC000001619728 219412989 /nfs/dbraw/zinc/41/29/89/219412989.db2.gz QEYHOVKABYDDMC-UHFFFAOYSA-N 0 0 373.199 2.891 1 5 FFBFRN COC(=O)[C@@H]1C[C@@]23C=CC[N+]4([O-])CC[C@@]5(c6ccccc6N[C@]15[C@@H]2C)[C@H]34 ZINC000033829800 291060068 /nfs/dbraw/zinc/06/00/68/291060068.db2.gz JOAAIYRFWUHKSF-JSNOROLVSA-N 0 0 352.434 2.574 1 5 biogenic,in-vitro FFBFRN CC(=O)N1N=C(Cn2c(C)ncc2[N+](=O)[O-])O[C@H]1c1ccccc1Cl ZINC000096929440 222142736 /nfs/dbraw/zinc/14/27/36/222142736.db2.gz ZPSHGOJGRFPMKW-HNNXBMFYSA-N 0 0 363.761 2.644 1 5 FFBFRN Cc1ccc(-n2c3ccccc3nc3c(=O)n(C)c(=O)nc2-3)cc1Cl ZINC000029487908 220607745 /nfs/dbraw/zinc/60/77/45/220607745.db2.gz QBYPTBPBQWSKER-UHFFFAOYSA-N 0 0 352.781 2.546 1 5 FFBFRN CCCOCCCNC(=S)Nc1cc(OC)c([N+](=O)[O-])cc1OC ZINC000066080004 221240625 /nfs/dbraw/zinc/24/06/25/221240625.db2.gz ZRHYYPVYHCFQHI-UHFFFAOYSA-N 0 0 357.432 2.715 1 5 FFBFRN CC1CCN(c2nc(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3s2)CC1 ZINC000096910793 132226294 /nfs/dbraw/zinc/22/62/94/132226294.db2.gz JPVJPPBPIYOJAG-UHFFFAOYSA-N 0 0 350.356 2.709 1 5 FFBFRN CCOC(=O)CNC(=O)Cc1cccc2c(=O)c3ccc(C)c(C)c3oc12 ZINC000103299289 222333854 /nfs/dbraw/zinc/33/38/54/222333854.db2.gz ZUBAXURQELHPCA-UHFFFAOYSA-N 0 0 367.401 2.785 1 5 FFBFRN O=C(NC(=S)N=c1[nH]c2cc([N+](=O)[O-])ccc2s1)c1ccccc1 ZINC000049088141 221019372 /nfs/dbraw/zinc/01/93/72/221019372.db2.gz CBLSQVQCBSOMQZ-UHFFFAOYSA-N 0 0 358.404 2.753 1 5 FFBFRN COc1cc2nc(CNc3cccc([N+](=O)[O-])c3)nc(N)c2cc1OC ZINC000096907512 222137253 /nfs/dbraw/zinc/13/72/53/222137253.db2.gz KXMZJZOTFMNSSC-UHFFFAOYSA-N 0 0 355.354 2.750 1 5 FFBFRN O=[N+]([O-])c1cnc2n1C[C@H](OCc1ccc(OC(F)(F)F)cc1)CO2 ZINC000040950030 220926192 /nfs/dbraw/zinc/92/61/92/220926192.db2.gz ACVGNGZYVUICAG-NSHDSACASA-N 0 0 359.260 2.668 1 5 FFBFRN O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cncc(F)c3)cc1)C2 ZINC000066252304 221243228 /nfs/dbraw/zinc/24/32/28/221243228.db2.gz JFKSKGAFUNIMBG-INIZCTEOSA-N 0 0 370.340 2.970 1 5 FFBFRN Cc1ccnc(NC(=S)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000095571337 132215531 /nfs/dbraw/zinc/21/55/31/132215531.db2.gz IHQUWPFDXNOAOZ-UHFFFAOYSA-N 0 0 357.439 2.817 1 5 FFBFRN CC(=O)N1N=C(Cn2c(C)ncc2[N+](=O)[O-])O[C@H]1c1cccc(Cl)c1 ZINC000096929442 222142557 /nfs/dbraw/zinc/14/25/57/222142557.db2.gz AKQDENAMYGMPRF-HNNXBMFYSA-N 0 0 363.761 2.644 1 5 FFBFRN COC(=O)[C@H]1C[C@]23CCC[N+]4([O-])CC[C@]5(c6ccccc6N[C@@]15CC2)[C@@H]34 ZINC000238765745 717163054 /nfs/dbraw/zinc/16/30/54/717163054.db2.gz KWXHCCIXBUPHTG-KSDLINPOSA-N 0 0 354.450 2.943 1 5 FFBFRN COc1ccc2c(-c3ccnc(Nc4ccc([N+](=O)[O-])cc4)n3)cnn2n1 ZINC000013582625 220077207 /nfs/dbraw/zinc/07/72/07/220077207.db2.gz RBHCYWNSENRQLN-UHFFFAOYSA-N 0 0 363.337 2.847 1 5 FFBFRN COc1cc(OC[C@@H]2COC(=O)O2)cc2c1c(=O)c1ccccc1n2C ZINC000045300754 220968834 /nfs/dbraw/zinc/96/88/34/220968834.db2.gz MADNFKYOWRTNTM-GFCCVEGCSA-N 0 0 355.346 2.615 1 5 FFBFRN CC(=O)N1N=C(Cn2c(C)ncc2[N+](=O)[O-])O[C@@H]1c1ccccc1Cl ZINC000096929441 222143034 /nfs/dbraw/zinc/14/30/34/222143034.db2.gz ZPSHGOJGRFPMKW-OAHLLOKOSA-N 0 0 363.761 2.644 1 5 FFBFRN